7-(4-methoxyphenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-amine

C16H17NO2 — CID 174539394

IUPAC7-(4-methoxyphenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-amine
SMILESCNC1Cc2cccc(-c3ccc(OC)cc3)c2O1
InChIInChI=1S/C16H17NO2/c1-17-15-10-12-4-3-5-14(16(12)19-15)11-6-8-13(18-2)9-7-11/h3-9,15,17H,10H2,1-2H3
InChIKeyDEGZUGNYDQMGRB-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.84
Rot. Bonds3

About 7-(4-methoxyphenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-amine

7-(4-methoxyphenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-amine (PubChem CID 174539394) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-amine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-amine
PubChem CID174539394
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name7-(4-methoxyphenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-amine
SMILESCNC1Cc2cccc(-c3ccc(OC)cc3)c2O1
InChIInChI=1S/C16H17NO2/c1-17-15-10-12-4-3-5-14(16(12)19-15)11-6-8-13(18-2)9-7-11/h3-9,15,17H,10H2,1-2H3
InChIKeyDEGZUGNYDQMGRB-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-amine?
The IUPAC name of 7-(4-methoxyphenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-amine (CID 174539394) is 7-(4-methoxyphenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-amine.
What is the SMILES notation for 7-(4-methoxyphenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-amine?
The canonical SMILES for 7-(4-methoxyphenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-amine is CNC1Cc2cccc(-c3ccc(OC)cc3)c2O1.
What is the InChIKey of 7-(4-methoxyphenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-amine?
The InChIKey is DEGZUGNYDQMGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-17-15-10-12-4-3-5-14(16(12)19-15)11-6-8-13(18-2)9-7-11/h3-9,15,17H,10H2,1-2H3.
What are the key properties of 7-(4-methoxyphenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-amine?
7-(4-methoxyphenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-amine has a molecular weight of 255.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-amine is sourced from PubChem (CID 174539394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).